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393 results on '"Hu, Liming"'

45. Discovery of a urea-based hit compound as a novel inhibitor of transforming growth factor-β type 1 receptor: in silico and in vitro studies.

Author

Li, Yaxin, Liu, Sisi, Wang, Zhuoya, Wang, Xiaoli, Xu, Jiamin, Yao, Keke, Zhang, Ranran, Lu, Chenxuan, Wu, Zhigang, and Hu, Liming

Abstract

Transforming growth factor β type 1 receptor (TGFβR1), a crucial serine-threonine kinase, is central to the TGFβ/Smad signaling pathway, governing cellular processes like growth, differentiation, apoptosis, and immune response. This pathway is closely linked to the epithelial–mesenchymal transition (EMT) process, which plays an important role in the metastasis of hepatocellular carcinoma (HCC). To date, only limited inhibitors targeting TGFβR1 have entered clinical trials, yet they encounter challenges, notably high toxicity, in clinical applications. Herein, an efficient virtual screening pipeline was developed. Eighty compounds were screened from a pool of over 17 million molecules based on docking scores and binding free energy. Four compounds were manually selected with the assistance of enhanced sampling method BPMD (binding pose metadynamics). The binding stability of these four compounds complexed with TGFβR1 was subsequently studied through long-timescale conventional molecular dynamics simulations. The three most promising compounds were subjected to in vitro bioactivity assays. Cpd272 demonstrated moderate inhibitory activity against TGFβR1, with an IC50 value of 1.57 ± 0.33 μM. Moreover, it exhibited cytotoxic effects on human hepatocellular carcinoma cell line Bel-7402. By shedding light on the binding mode of the receptor–ligand complexes, Cpd272 was identified as a hit compound featuring a novel urea-based scaffold capable of effectively inhibiting TGFβR1. [ABSTRACT FROM AUTHOR]

Published
2024
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46. Physical and Chemical Properties of Bentonite Modified by Electrochemical Treatment.

Author

Zhang, Lin and Hu, Liming

Subjects
*SWELLING soils, *PORE water, *CHEMICAL properties, *SOIL sampling, *SMECTITE, *BENTONITE
Abstract

Expansive soils are characterized by significant swelling and shrinkage due to changes in water content, which could threaten the safety of buildings. In this study, an electrochemical treatment method was used to modify bentonite, with subsequent analysis focused on evaluating the alterations in its physical and chemical properties. The electrical resistance between the soil and the electrodes was significantly reduced by injecting a CaCl2 solution, leading to a substantial decrease in voltage loss at the anode. The thickness of the electrical double layer decreased as the Na+ cations adsorbed by smectite particles were exchanged by Ca2+ ions, which significantly decreased the water adsorption and free swelling ratio. The electrochemical treatment method removed more pore water from soil samples than the electroosmotic consolidation method. Furthermore, the results indicated that the injection of a CaCl2 solution could be effective in restraining the swelling potential of bentonite. The most suitable concentration for CaCl2 solution to modify bentonite by electrochemical treatment method might be 1 mol/L, and the injection volume could be 125 mL/L of soil. The results indicated that the electrochemical treatment method could be a promising in situ technique for modifying expansive soil. [ABSTRACT FROM AUTHOR]

Published
2024
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